methyl (E)-4-[methyl-(phenylmethyl)amino]-3-(4-methylphenyl)sulfinyl-but-2-enoate

Systemtic Name: methyl (E)-4-[methyl-(phenylmethyl)amino]-3-(4-methylphenyl)sulfinyl-but-2-enoate Openeye Name: methyl (E)-4-[benzyl(methyl)amino]-3-(p-tolylsulfinyl)but-2-enoate CAS Name: (E)-4-[methyl-(phenylmethyl)amino]-3-(4-methylphenyl)sulfinyl-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[benzyl(methyl)amino]-3-(4-methylphenyl)sulfinylbut-2-enoate Traditional Name: (E)-4-[benzyl(methyl)amino]-3-(p-tolylsulfinyl)but-2-enoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(=CC(=O)OC)CN(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)/C(=C/C(=O)OC)/CN(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S/c1-16-9-11-18(12-10-16)25(23)19(13-20(22)24-3)15-21(2)14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b19-13+